2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide

C16H16F2N2O3S2 — CID 18574873

IUPAC2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2N2O3S2/c17-12-5-1-6-13(18)15(12)16(21)19-10-11-4-2-8-20(11)25(22,23)14-7-3-9-24-14/h1,3,5-7,9,11H,2,4,8,10H2,(H,19,21)
InChIKeyGRKALNUTZNAPBF-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.61
Rot. Bonds5

About 2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide

2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 18574873) has the molecular formula C16H16F2N2O3S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
PubChem CID18574873
Molecular FormulaC16H16F2N2O3S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC Name2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2N2O3S2/c17-12-5-1-6-13(18)15(12)16(21)19-10-11-4-2-8-20(11)25(22,23)14-7-3-9-24-14/h1,3,5-7,9,11H,2,4,8,10H2,(H,19,21)
InChIKeyGRKALNUTZNAPBF-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide (CID 18574873) is 2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide is O=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is GRKALNUTZNAPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S2/c17-12-5-1-6-13(18)15(12)16(21)19-10-11-4-2-8-20(11)25(22,23)14-7-3-9-24-14/h1,3,5-7,9,11H,2,4,8,10H2,(H,19,21).
What are the key properties of 2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 18574873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).